4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline

C17H12BrCl2N — CID 28993216

IUPAC4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cccc2ccccc12
InChIInChI=1S/C17H12BrCl2N/c18-13-8-15(19)17(16(20)9-13)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9,21H,10H2
InChIKeySBDUBZGLWSVLBP-UHFFFAOYSA-N
MW381.10 g/mol
LogP6.52
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 28993216) has the molecular formula C17H12BrCl2N and a molecular weight of 381.10 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
PubChem CID28993216
Molecular FormulaC17H12BrCl2N
Molecular Weight381.10 g/mol
Exact Mass378.95
IUPAC Name4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cccc2ccccc12
InChIInChI=1S/C17H12BrCl2N/c18-13-8-15(19)17(16(20)9-13)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9,21H,10H2
InChIKeySBDUBZGLWSVLBP-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.10
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
2-[(4-bromo-2,6-dichloroanilino)methyl]-6-chlorophenol
CID 112606366
4-[(4-bromo-2,6-dichloroanilino)methyl]benzene-1,3-diol
CID 28993144
2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503929
4-bromo-2,6-dichloro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28992975
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
CID 83076808
2-[(4-bromo-2,6-dichloroanilino)methyl]-3-chlorophenol
CID 114317923
2,6-dichloro-4-fluoro-N-(isoquinolin-4-ylmethyl)aniline
CID 104504008
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
2-bromo-6-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 107610451
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline (CID 28993216) is 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCc1cccc2ccccc12.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is SBDUBZGLWSVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N/c18-13-8-15(19)17(16(20)9-13)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9,21H,10H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 381.10 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 28993216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).